Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2242031
Preview
| Coordinates | 2242031.cif |
|---|---|
| Structure factors | 2242031.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[copper(II)-μ~2~-salicylato-[diaquacopper(II)]-μ~2~-salicylato] dihydrate] |
|---|---|
| Formula | C14 H16 Cu2 O10 |
| Calculated formula | C14 H16 Cu2 O10 |
| SMILES | [Cu]1([OH2])([OH2])[O]=C2[O]1[Cu]1(Oc3c2cccc3)[O]2[Cu]3([O]=C2c2c(O1)cccc2)([OH2])([OH2])[O]=C1[O]3[Cu]2(Oc3c1cccc3)OC(=O)c1c(O2)cccc1.O.O.O.O |
| Title of publication | Crystal structure of <i>catena</i>-poly[[copper(II)-μ~2~-salicylato-[diaquacopper(II)]-μ~2~-salicylato] dihydrate] |
| Authors of publication | van der Horn, Jitschaq A.; Lutz, Martin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 2 |
| Pages of publication | 235 - 238 |
| a | 19.5028 ± 0.0017 Å |
| b | 5.0553 ± 0.0004 Å |
| c | 15.7573 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1553.6 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0741 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.0845 |
| Weighted residual factors for all reflections included in the refinement | 0.0975 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 190798 (current) | 2017-01-21 | cif/ hkl/ Adding structures of 2242031 via cif-deposit CGI script. |
2242031.cif 2242031.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.